1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide

C17H31IN4O2 — CID 111520580

IUPAC1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCN1CCCCC1.I
InChIInChI=1S/C17H30N4O2.HI/c1-3-18-16(19-9-12-21-10-5-4-6-11-21)20-14-17(2,22)15-8-7-13-23-15;/h7-8,13,22H,3-6,9-12,14H2,1-2H3,(H2,18,19,20);1H
InChIKeyFGNYCUUZIJBGFW-UHFFFAOYSA-N
MW450.37 g/mol
LogP2.15
Rot. Bonds7

About 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111520580) has the molecular formula C17H31IN4O2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111520580
Molecular FormulaC17H31IN4O2
Molecular Weight450.37 g/mol
Exact Mass450.15
IUPAC Name1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(O)c1ccco1)NCCN1CCCCC1.I
InChIInChI=1S/C17H30N4O2.HI/c1-3-18-16(19-9-12-21-10-5-4-6-11-21)20-14-17(2,22)15-8-7-13-23-15;/h7-8,13,22H,3-6,9-12,14H2,1-2H3,(H2,18,19,20);1H
InChIKeyFGNYCUUZIJBGFW-UHFFFAOYSA-N
XLogP2.15
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]piperazine-1-carboxylate
CID 111672894
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-propylguanidine
CID 111512874
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111672243
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111671471
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111672692
1-ethyl-3-(2-ethylsulfonylethyl)-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672753
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-hexylguanidine
CID 111511216
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111671557
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 111671595
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine;hydroiodide
CID 111672401
N-[2-[[N-ethyl-N'-[2-(furan-2-yl)-2-hydroxypropyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111672329
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(furan-2-yl)-2-hydroxypropyl]guanidine
CID 111672236

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide (CID 111520580) is 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(C)(O)c1ccco1)NCCN1CCCCC1.I.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is FGNYCUUZIJBGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2.HI/c1-3-18-16(19-9-12-21-10-5-4-6-11-21)20-14-17(2,22)15-8-7-13-23-15;/h7-8,13,22H,3-6,9-12,14H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide?
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 450.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111520580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).